7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one

C11H7ClN2OS — CID 619526

IUPAC7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one
SMILESO=C1Nc2cc(Cl)ccc2Nc2cscc21
InChIInChI=1S/C11H7ClN2OS/c12-6-1-2-8-9(3-6)14-11(15)7-4-16-5-10(7)13-8/h1-5,13H,(H,14,15)
InChIKeyPHNFXXZEKWQHDX-UHFFFAOYSA-N
MW250.71 g/mol
LogP3.71
Rot. Bonds

About 7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one

7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one (PubChem CID 619526) has the molecular formula C11H7ClN2OS and a molecular weight of 250.71 g/mol. Its IUPAC name is 7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one
PubChem CID619526
Molecular FormulaC11H7ClN2OS
Molecular Weight250.71 g/mol
Exact Mass250.00
IUPAC Name7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one
SMILESO=C1Nc2cc(Cl)ccc2Nc2cscc21
InChIInChI=1S/C11H7ClN2OS/c12-6-1-2-8-9(3-6)14-11(15)7-4-16-5-10(7)13-8/h1-5,13H,(H,14,15)
InChIKeyPHNFXXZEKWQHDX-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one?
The IUPAC name of 7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one (CID 619526) is 7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one.
What is the SMILES notation for 7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one?
The canonical SMILES for 7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one is O=C1Nc2cc(Cl)ccc2Nc2cscc21.
What is the InChIKey of 7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one?
The InChIKey is PHNFXXZEKWQHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2OS/c12-6-1-2-8-9(3-6)14-11(15)7-4-16-5-10(7)13-8/h1-5,13H,(H,14,15).
What are the key properties of 7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one?
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one has a molecular weight of 250.71 g/mol, XLogP of 3.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one is sourced from PubChem (CID 619526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).